(R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol

C15H12FN3O — CID 95215775

IUPAC(R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nncn1-c1cccc(F)c1
InChIInChI=1S/C15H12FN3O/c16-12-7-4-8-13(9-12)19-10-17-18-15(19)14(20)11-5-2-1-3-6-11/h1-10,14,20H/t14-/m1/s1
InChIKeyPYCGHNLAGFDNEO-CQSZACIVSA-N
MW269.28 g/mol
LogP2.49
Rot. Bonds3

About (R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol

(R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol (PubChem CID 95215775) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is (R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol
PubChem CID95215775
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name(R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nncn1-c1cccc(F)c1
InChIInChI=1S/C15H12FN3O/c16-12-7-4-8-13(9-12)19-10-17-18-15(19)14(20)11-5-2-1-3-6-11/h1-10,14,20H/t14-/m1/s1
InChIKeyPYCGHNLAGFDNEO-CQSZACIVSA-N
XLogP2.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methylphenyl)-1,2,4-triazol-3-yl]-phenylmethanol
CID 56720485
(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
(3S,5S)-5-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 156500367
2-bromo-6-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 167494986
(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
3-(3-fluorophenyl)-5-methylimidazole-4-carboxylic acid
CID 82472525
3-pentan-3-yl-4-phenyl-1,2,4-triazole
CID 115393369
2-amino-2-[3-(3-fluorophenyl)imidazol-4-yl]acetic acid
CID 83896438
3-heptan-4-yl-4-phenyl-1,2,4-triazole
CID 82995820
4-(3-fluorophenyl)-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2,4-triazole
CID 56712174
(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105078402

Frequently Asked Questions

What is the IUPAC name of (R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol?
The IUPAC name of (R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol (CID 95215775) is (R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol.
What is the SMILES notation for (R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol?
The canonical SMILES for (R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol is O[C@H](c1ccccc1)c1nncn1-c1cccc(F)c1.
What is the InChIKey of (R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol?
The InChIKey is PYCGHNLAGFDNEO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-7-4-8-13(9-12)19-10-17-18-15(19)14(20)11-5-2-1-3-6-11/h1-10,14,20H/t14-/m1/s1.
What are the key properties of (R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol?
(R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol has a molecular weight of 269.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]-phenylmethanol is sourced from PubChem (CID 95215775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).